Vitas-M small molecule compound
benzyl (8R,8aR)-6-amino-5,7,7-tricyano-8-(thiophen-2-yl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Catalog ID
STK080123
SMILES N#CC1=C(N)C([C@@H]([C@@H]2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccs1)(C#N)C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C24H19N5O2S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O2S/c25-11-18-17-8-9-29(23(30)31-13-16-5-2-1-3-6-16)12-19(17)21(20-7-4-10-32-20)24(14-26,15-27)22(18)28/h1-8,10,19,21H,9,12-13,28H2/t19-,21-/m0/s1InChIKey
SREXAAQNQAVRHK-FPOVZHCZSA-NSynonyms
303966-74-7(8R8aR)benzyl6amino577tricyano8(thiophen2yl)1788atetrahydroisoquinoline2(3H)carboxylate
303966747
benzyl(8R8aR)6amino577tricyano8(thiophen2yl)3788atetrahydroisoquinoline2(1H)carboxylate
benzyl(8R8aR)6amino577tricyano8thiophen2yl1388atetrahydroisoquinoline2carboxylate
C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=CS4
InChI=1SC24H19N5O2Sc251118178929(23(30)3113165213616)1219(17)21(2074103220)24(14261527)22(18)28h18101921H9121328H2t1921m0s1
N#CC1=C(N)C((C@@H)((C@@H)2C1=CCN(C2)C(=O)OCc1ccccc1)c1cccs1)(C#N)C#N
STK080123
ZINC000006446604
ZINC06446604
ZINC6446604
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